N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide

C20H25NO4 — CID 18117054

IUPACN-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-13-7-8-15(14(2)9-13)12-21(3)20(22)16-10-17(23-4)19(25-6)18(11-16)24-5/h7-11H,12H2,1-6H3
InChIKeyFOPAIKREUBBLPL-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.60
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide

N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 18117054) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID18117054
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-13-7-8-15(14(2)9-13)12-21(3)20(22)16-10-17(23-4)19(25-6)18(11-16)24-5/h7-11H,12H2,1-6H3
InChIKeyFOPAIKREUBBLPL-UHFFFAOYSA-N
XLogP3.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methyl-3-nitrobenzamide
CID 18117063
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8873043
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753955
3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958
N-[(2,4-dimethylphenyl)methyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 9228053
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 9228067
3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
CID 103221365
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide (CID 18117054) is N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2ccc(C)cc2C)cc(OC)c1OC.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is FOPAIKREUBBLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-13-7-8-15(14(2)9-13)12-21(3)20(22)16-10-17(23-4)19(25-6)18(11-16)24-5/h7-11H,12H2,1-6H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide?
N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 343.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 18117054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).